Input 12-forces.03-N2_gs.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
1.000000000000000e-14 |
0.000000000000000e+00 |
PASS |
| Total energy |
-1.949762840000000e+01 |
-1.949762840000000e+01 |
9.750000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Force |
-2.632310240000000e+00 |
-2.632310240000000e+00 |
2.630000000000000e-14 |
0.000000000000000e+00 |
PASS |
| Force Ion-ion |
-1.111111110000000e+01 |
-1.111111110000000e+01 |
5.559999999999999e-07 |
0.000000000000000e+00 |
PASS |
| Force Local |
5.501503440000000e+00 |
5.501503440000000e+00 |
2.750000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Force NL |
2.977297410000000e+00 |
2.977297410000000e+00 |
1.490000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Force SCF |
9.835178880000000e-09 |
9.835178000000001e-09 |
1.960000000000000e-14 |
8.799999989570297e-16 |
PASS |